855

2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine

Created: 2009-04-06
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count0
Bond Count42
Aromatic Bond Count24
2D diagram of 855
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Chemical Component Summary

Name2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine
Systematic Name (OpenEye OEToolkits)2-(6-methylpyridin-2-yl)-N-pyridin-4-yl-quinazolin-4-amine
FormulaC19 H15 N5
Molecular Weight313.356
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04n2c1c(cccc1)c(nc2c3nc(ccc3)C)Nc4ccncc4
SMILESCACTVS3.341Cc1cccc(n1)c2nc(Nc3ccncc3)c4ccccc4n2
SMILESOpenEye OEToolkits1.5.0Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccncc4
Canonical SMILESCACTVS3.341 Cc1cccc(n1)c2nc(Nc3ccncc3)c4ccccc4n2
Canonical SMILESOpenEye OEToolkits1.5.0 Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccncc4
InChIInChI1.03 InChI=1S/C19H15N5/c1-13-5-4-8-17(21-13)19-23-16-7-3-2-6-15(16)18(24-19)22-14-9-11-20-12-10-14/h2-12H,1H3,(H,20,22,23,24)
InChIKeyInChI1.03 JONFDFIXMPXTRH-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB07267 
Name2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine
Groups experimental
Synonyms2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine

Drug Targets

NameTarget SequencePharmacological ActionActions
TGF-beta receptor type-1MEAAVAAPRPRLLLLVLAAAAAAAAALLPGATALQCFCHLCTKDNFTCVT...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL570533
PubChem 10267580
ChEMBL CHEMBL570533
ChEBI CHEBI:143120